[Wien] Calculation about the effect of external magnetic field

[Fecher, Gerhard]

How strong was the field ?
If you have a magnetic material saturated (say Fe at about 2.2. mu_B, I guess that's what you have already without magnetic field), 
what changes do you expect when you apply a magnetic field on top of the saturation ?

Application of a magnetic field in the calculation may stabilyse a otherwise metastable magnetic solution.

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "李艳丽 [liyanli128 at 163.com]
Gesendet: Dienstag, 2. September 2014 06:19
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Calculation about the effect of external magnetic field

Dear all,
    I notice that a external magnetic field could be applied in wien2k by orb. And I used the order ' runsp_lapw -ec 0.0001 -orb -p ' to calculate the effect of external magnetic field on the electronic structures of Fe3O4, and there are no change happened.
   I also tried many tests on other materials, and the results are also the same with that without the external magnetic field. So it means the external magnetic field has no effect on the properties of the materials, which is not consistent with the experimental results.
  Therefore I want to know  whether the function of adding external magnetic field worked ?
Best Regards,
Yanli
Wuhan University of Science and Technology, Wuhan, P.R.China
430070